5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one

C19H25N3O3 — CID 118772835

IUPAC5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
SMILESCN(C)Cc1ccc(C2CCCN2C(=O)CCc2cc(=O)[nH]o2)cc1
InChIInChI=1S/C19H25N3O3/c1-21(2)13-14-5-7-15(8-6-14)17-4-3-11-22(17)19(24)10-9-16-12-18(23)20-25-16/h5-8,12,17H,3-4,9-11,13H2,1-2H3,(H,20,23)
InChIKeyCBYQPRBCQUNACE-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.33
Rot. Bonds6

About 5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one

5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one (PubChem CID 118772835) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
PubChem CID118772835
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
SMILESCN(C)Cc1ccc(C2CCCN2C(=O)CCc2cc(=O)[nH]o2)cc1
InChIInChI=1S/C19H25N3O3/c1-21(2)13-14-5-7-15(8-6-14)17-4-3-11-22(17)19(24)10-9-16-12-18(23)20-25-16/h5-8,12,17H,3-4,9-11,13H2,1-2H3,(H,20,23)
InChIKeyCBYQPRBCQUNACE-UHFFFAOYSA-N
XLogP2.33
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[(2S)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 125168640
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56873767
3-(benzenesulfonyl)-1-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]propan-1-one
CID 131916904
1-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-2-(2H-tetrazol-5-yl)ethanone
CID 56758889
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70738677
4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 125179783
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70761404
4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 131894796
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 70774951
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(4-ethylphenyl)propan-1-one
CID 24576153
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]propan-1-one;formic acid
CID 154914648
4-[2-[4-[(dimethylamino)methyl]phenyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70719498

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one (CID 118772835) is 5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one is CN(C)Cc1ccc(C2CCCN2C(=O)CCc2cc(=O)[nH]o2)cc1.
What is the InChIKey of 5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one?
The InChIKey is CBYQPRBCQUNACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-21(2)13-14-5-7-15(8-6-14)17-4-3-11-22(17)19(24)10-9-16-12-18(23)20-25-16/h5-8,12,17H,3-4,9-11,13H2,1-2H3,(H,20,23).
What are the key properties of 5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one?
5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one has a molecular weight of 343.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one is sourced from PubChem (CID 118772835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).